SCHEMBL20530552

SCHEMBL20530552

CCOC(=O)CC1CCN(C(=O)N2CCN(C(=O)N(C)C(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H](c3ccc(F)cc3C)C2)CC1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.59
CYP3A4 P08684 2/20 0.58
SIGMAR1 Q99720 2/20 0.58
PTAFR P25105 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18971914 1.00 TACR1 (0.59) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL20530562 0.91 TACR1 (0.63) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL18971987 0.91 TACR1 (0.63) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL20530522 0.91 TACR1 (0.59) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL18971959 0.91 TACR1 (0.59) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL20530527 0.91 TACR1 (0.59) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL18971859 0.91 TACR1 (0.59) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL20530521 0.91 TACR1 (0.59) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL20530520 0.91 TACR1 (0.60) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL20530500 0.88 TACR1 (0.60) TACR1CYP3A4SIGMAR1PTAFR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3388423-B1 NK1 RECEPTOR ANTAGONIST KISSEI PHARMACEUTICAL (JP) 2020-05-27 EP disclosed
US-10399949-B2 NK1 receptor antagonist KISSEI PHARMACEUTICAL CO., LTD. (JP) 2019-09-03 US disclosed
US-20190002414-A1 NK1 RECEPTOR ANTAGONIST KISSEI PHARMACEUTICAL CO., LTD. (JP) 2019-01-03 US disclosed
EP-3388423-A1 NK1 RECEPTOR ANTAGONIST Kissei Pharmaceutical Co., Ltd. (JP) 2018-10-17 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190002414-A1 NK1 RECEPTOR ANTAGONIST TACR1, TACR2, GRPR TACR1 1/4885CYP3A4 2813/4885SIGMAR1 109/4885
US-10399949-B2 NK1 receptor antagonist TACR1, TACR2, GRPR TACR1 1/4885CYP3A4 2813/4885SIGMAR1 109/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.